The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions: electrochemical results and dynamic molecular simulation approach

2018 ◽  
Vol 20 (14) ◽  
pp. 9321-9327 ◽  
Author(s):  
João R. Bezerra-Neto ◽  
Natalia G. Sousa ◽  
Luis P. M. dos Santos ◽  
Adriana N. Correia ◽  
Pedro de Lima-Neto
Keyword(s):  
Ethylene Glycol ◽  
Physicochemical Properties ◽  
Molecular Dynamic ◽  
Molecular Simulation ◽  
Choline Chloride ◽  
Water Molecules ◽  
Simulation Approach ◽  
Effect Of Water

The molecular dynamic indicated that the water molecules replace the ethylene glycol molecules that are coordinated with Cu2+ ions.

Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation

2021 ◽  
Vol 155 (11) ◽  
pp. 114504
Author(s):  
Hirad S. Salehi ◽  
H. Mert Polat ◽  
Frédérick de Meyer ◽  
Céline Houriez ◽  
Christophe Coquelet ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Molecular Simulation ◽  
Vapor Phase ◽  
Choline Chloride ◽  
Deep Eutectic Solvents ◽  
Vapor Pressures

scholarly journals A molecular simulation approach towards the development of universal nanocarriers by studying the pH- and electrostatic-driven changes in the dynamic structure of albumin

RSC Advances ◽  
2020 ◽  
Vol 10 (23) ◽  
pp. 13451-13459
Author(s):  
Amit Kumar Srivastav ◽  
Sanjeev K. Gupta ◽  
Umesh Kumar
Keyword(s):  
Molecular Dynamic ◽  
Molecular Simulation ◽  
Dynamic Structure ◽  
Dynamic Study ◽  
Simulation Approach ◽  
Electrostatic Charges ◽  
Molecular Dynamic Study

Role of pH and electrostatic charges on the conformations and dynamics of albumin structure by molecular dynamic study.

Quantum chemical calculation of cation interaction with water molecules and ethylene glycol

2007 ◽  
Vol 48 (1) ◽  
pp. 166-169 ◽  
Author(s):  
A. G. Rozhkova ◽  
E. V. Butyrskaya ◽  
M. V. Rozhkova ◽  
V. A. Shaposhnik
Keyword(s):  
Ethylene Glycol ◽  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Water Molecules ◽  
Chemical Calculation

Formation of Double-Cone-Shaped ZnO Mesocrystals by Addition of Ethylene Glycol to ZnO Dissolved Choline Chloride–Urea Deep Eutectic Solvents and Observation of Their Manners of Growth

CrystEngComm ◽  
2021 ◽  
Author(s):  
Hajime Wagata ◽  
Ginji Harada ◽  
Eriko Nakashima ◽  
Motoki Asaga ◽  
Tomoaki Watanabe ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Choline Chloride ◽  
Deep Eutectic Solvents ◽  
Double Cone ◽  
Crystal Shapes ◽  
Physical And Chemical

ZnO mesocrystals have been explored for various physical and chemical applications. In spite of effort by a number of researches, it is still difficult to grow specific crystal shapes in...

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